Summary

IMPPAT Phytochemical identifier: IMPHY002594

Phytochemical name: Moracin P

Synonymous chemical names:
moracin p

External chemical identifiers:
CID:14539884, ChEMBL:CHEMBL380456, ChEBI:175161, MolPort-039-338-764

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Chemical structure information

SMILES:
Oc1cc(O)cc(c1)c1oc2c(c1)cc1c(c2)OC(C(C1)O)(C)C

InChI:
InChI=1S/C19H18O5/c1-19(2)18(22)7-11-3-10-6-15(23-16(10)9-17(11)24-19)12-4-13(20)8-14(21)5-12/h3-6,8-9,18,20-22H,7H2,1-2H3

InChIKey:
QFUCSEIKNTUPPA-UHFFFAOYSA-N

DeepSMILES:
OcccO)ccc6)coccc5)cccc6)OCCC6)O))C)C

Functional groups:
CO, cO, cOC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(-c2cc3cc4c(cc3o2)OCCC4)cc1

Scaffold Graph/Node level:
C1CCC(C2CC3CC4CCCOC4CC3O2)CC1

Scaffold Graph level:
C1CCC(C2CC3CC4CCCCC4CC3C2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: 2-arylbenzofuran flavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Isoflavonoids

NP Classifier Class: 2-arylbenzofurans

NP-Likeness score: 1.944

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Chemical structure download